ethyl 2-[bis(prop-2-enyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[bis(prop-2-enyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(diallylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[bis(prop-2-enyl)amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[bis(prop-2-enyl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-(diallylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H22N2O2S2 MolecularWeight: 386.53088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N(CC=C)CC=C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N(CC=C)CC=C

InChI

InChI=1S/C20H22N2O2S2/c1-4-12-22(13-5-2)20(25)21-18-16(19(23)24-6-3)14-17(26-18)15-10-8-7-9-11-15/h4-5,7-11,14H,1-2,6,12-13H2,3H3,(H,21,25)